N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C14H26FN3 — CID 82697645

IUPACN-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(CCF)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C14H26FN3/c1-6-12-11(10-16-14(3,4)5)13(7-2)18(17-12)9-8-15/h16H,6-10H2,1-5H3
InChIKeyWVUJUQMARXPQOH-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.87
Rot. Bonds6

About N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82697645) has the molecular formula C14H26FN3 and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID82697645
Molecular FormulaC14H26FN3
Molecular Weight255.38 g/mol
Exact Mass255.21
IUPAC NameN-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(CCF)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C14H26FN3/c1-6-12-11(10-16-14(3,4)5)13(7-2)18(17-12)9-8-15/h16H,6-10H2,1-5H3
InChIKeyWVUJUQMARXPQOH-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
(1-methyl-1H,4H,5H,6H-cyclopenta(c)pyrazol-3-yl)methanamine
CID 28808654
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
Cambridge id 6066293
CID 5347470
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 82697645) is N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1nn(CCF)c(CC)c1CNC(C)(C)C.
What is the InChIKey of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WVUJUQMARXPQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3/c1-6-12-11(10-16-14(3,4)5)13(7-2)18(17-12)9-8-15/h16H,6-10H2,1-5H3.
What are the key properties of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82697645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).